S928-2202 Screening compound: 2-(2-methylpropyl)-5-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-1,3,4-oxadiazole

S928-2202 Screening compound: 2-(2-methylpropyl)-5-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-1,3,4-oxadiazole
S928-2202 Screening compound: 2-(2-methylpropyl)-5-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S928-2202
2-(2-methylpropyl)-5-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-1,3,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S928-2202

Molecular Formula

C18H29N5O (C18 H29 N5 O)

Compound Name

2-(2-methylpropyl)-5-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-1,3,4-oxadiazole

IUPAC name

2-(2-methylpropyl)-5-({1-[(135-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl}methyl)-134-oxadiazole

SMILES

CC(C)Cc1nnc(CC2CN(Cc3c(C)n(C)nc3C)CC2)o1

InChI

InChI=1S/C18H29N5O/c1-12(2)8-17-19-20-18(24-17)9-15-6-7-23(10-15)11-16-13(3)21-22(5)14(16)4/h12,15H,6-11H2,1-5H3/t15-/m1/s1

InChI Key

ZMOJEQRLSNPKSO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31998701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.766

Distribution Coefficient, logD

-3.868

Water Solubility, LogSw

-1.53

Polar Surface Area

48.957

Acid Dissociation Constant (pKa)

24.98

Base Dissociation Constant (pKb)

13.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

S928-2202 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S928-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S928-2202?
Check Price and Availability of S928-2202, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S928-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S928-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S928-2202
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S928-2202 available by request